(E,2R)-2-amino-3-methylpent-3-en-1-ol

C6H13NO — CID 153163909

IUPAC(E,2R)-2-amino-3-methylpent-3-en-1-ol
SMILESC/C=C(\C)[C@@H](N)CO
InChIInChI=1S/C6H13NO/c1-3-5(2)6(7)4-8/h3,6,8H,4,7H2,1-2H3/b5-3+/t6-/m0/s1
InChIKeyWCWLUUITXPNYDD-QVQDZQDPSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds2

About (E,2R)-2-amino-3-methylpent-3-en-1-ol

(E,2R)-2-amino-3-methylpent-3-en-1-ol (PubChem CID 153163909) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E,2R)-2-amino-3-methylpent-3-en-1-ol.

Molecular Properties

Compound Name(E,2R)-2-amino-3-methylpent-3-en-1-ol
PubChem CID153163909
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E,2R)-2-amino-3-methylpent-3-en-1-ol
SMILESC/C=C(\C)[C@@H](N)CO
InChIInChI=1S/C6H13NO/c1-3-5(2)6(7)4-8/h3,6,8H,4,7H2,1-2H3/b5-3+/t6-/m0/s1
InChIKeyWCWLUUITXPNYDD-QVQDZQDPSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-amino-3-methylpent-3-en-1-ol?
The IUPAC name of (E,2R)-2-amino-3-methylpent-3-en-1-ol (CID 153163909) is (E,2R)-2-amino-3-methylpent-3-en-1-ol.
What is the SMILES notation for (E,2R)-2-amino-3-methylpent-3-en-1-ol?
The canonical SMILES for (E,2R)-2-amino-3-methylpent-3-en-1-ol is C/C=C(\C)[C@@H](N)CO.
What is the InChIKey of (E,2R)-2-amino-3-methylpent-3-en-1-ol?
The InChIKey is WCWLUUITXPNYDD-QVQDZQDPSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5(2)6(7)4-8/h3,6,8H,4,7H2,1-2H3/b5-3+/t6-/m0/s1.
What are the key properties of (E,2R)-2-amino-3-methylpent-3-en-1-ol?
(E,2R)-2-amino-3-methylpent-3-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-amino-3-methylpent-3-en-1-ol is sourced from PubChem (CID 153163909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).